SCHEMBL21368552

SCHEMBL21368552

Cc1c(COS(C)(=O)=O)cc(C(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.30
CCR6 P51684 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19785986 0.77 L3MBTL1 (0.37) TSHRALDH1A1TDP1KMT2AMEN1
SCHEMBL3843256 0.73 TDP1 (0.53) TSHRALDH1A1TDP1KMT2AMEN1
SCHEMBL18321203 0.69 CYP1A2 (0.40) TSHRALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL1089020 0.68 ALDH1A1 (0.51) TSHRALDH1A1TDP1KMT2AMEN1
SCHEMBL5913007 0.68 CYP1A2 (0.51) TSHRALDH1A1TDP1KMT2AMEN1
SCHEMBL16054702 0.67 CYP3A4 (0.44) TSHRALDH1A1KMT2AMEN1CYP3A4
SCHEMBL19785896 0.67 CYP3A4 (0.41) TSHRALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL19786043 0.67 PDGFRB (0.46) TSHRALDH1A1TDP1KMT2AMEN1
SCHEMBL17445282 0.67 TDP1 (0.40) TSHRALDH1A1TDP1KMT2AMEN1
SCHEMBL1138939 0.67 POLB (0.48) TSHRALDH1A1KMT2AMEN1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2021-03-02 US disclosed
US-20200291010-A1 HETEROAROMATIC MDOULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S 2020-09-17 US disclosed
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2020-05-26 US disclosed
US-20190284177-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2019-09-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200291010-A1 HETEROAROMATIC MDOULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA RXRA, RORA, NR1H3 TSHR 103/4885ALDH1A1 389/4885TDP1 4312/4885
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB TSHR 78/4885ALDH1A1 499/4885TDP1 4380/4885
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB TSHR 78/4885ALDH1A1 499/4885TDP1 4380/4885
US-20190284177-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA RXRA, RXRG, RXRB TSHR 78/4885ALDH1A1 499/4885TDP1 4380/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.